Information card for entry 2239493

Structure parameters

• Chemical name: (<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate
• Formula: C20 H21 N O6 S
• Calculated formula: C20 H21 N O6 S
• SMILES: CC(=O)O[C@@H]([C@H]1COC(=O)N1Cc1ccccc1)c1ccc(cc1)S(=O)(=O)C
• Title of publication: (<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate
• Authors of publication: Li, Feng; Zhao, Ming-Zhong; Jin, Chun-Hua; Zou, Jian-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o606
• a: 5.837 ± 0.003 Å
• b: 21.021 ± 0.01 Å
• c: 7.884 ± 0.004 Å
• α: 90°
• β: 100.256 ± 0.007°
• γ: 90°
• Cell volume: 951.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes